DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL460887_dpp4

Atoms: 144
Models: 9
Best Energy: -5.419 kcal/mol

Binding Energies:
  • Pose 1: -5.419 kcal/mol
  • Pose 2: -5.345 kcal/mol
  • Pose 3: -5.345 kcal/mol
  • Pose 4: -5.265 kcal/mol
  • Pose 5: -5.239 kcal/mol
  • Pose 6: -5.19 kcal/mol
  • Pose 7: -5.027 kcal/mol
  • Pose 8: -4.979 kcal/mol
  • Pose 9: -4.944 kcal/mol
CHEMBL460887_dpp4
Energy Plot
RMSD Scatter Plot